5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol

C38H32O8 — CID 131750953

IUPAC5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol
SMILESCC1=CC2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C2C(C)(C)C1
InChIInChI=1S/C38H32O8/c1-18-8-25-34-26(41)11-22(30-13-20-5-7-24(40)16-32(20)45-30)14-33(34)46-37(36(25)38(2,3)17-18)35-27(42)9-21(10-28(35)43)29-12-19-4-6-23(39)15-31(19)44-29/h4-16,25,36-37,39-43H,17H2,1-3H3
InChIKeyGKHRLTCUMXVTAV-UHFFFAOYSA-N
MW616.67 g/mol
LogP9.25
Rot. Bonds3

About 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol

5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol (PubChem CID 131750953) has the molecular formula C38H32O8 and a molecular weight of 616.67 g/mol. Its IUPAC name is 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol
PubChem CID131750953
Molecular FormulaC38H32O8
Molecular Weight616.67 g/mol
Exact Mass616.21
IUPAC Name5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol
SMILESCC1=CC2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C2C(C)(C)C1
InChIInChI=1S/C38H32O8/c1-18-8-25-34-26(41)11-22(30-13-20-5-7-24(40)16-32(20)45-30)14-33(34)46-37(36(25)38(2,3)17-18)35-27(42)9-21(10-28(35)43)29-12-19-4-6-23(39)15-31(19)44-29/h4-16,25,36-37,39-43H,17H2,1-3H3
InChIKeyGKHRLTCUMXVTAV-UHFFFAOYSA-N
XLogP9.25
TPSA136.66 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.67
LogP ≤ 59.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol?
The IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol (CID 131750953) is 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol.
What is the SMILES notation for 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol?
The canonical SMILES for 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol is CC1=CC2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C2C(C)(C)C1.
What is the InChIKey of 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol?
The InChIKey is GKHRLTCUMXVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O8/c1-18-8-25-34-26(41)11-22(30-13-20-5-7-24(40)16-32(20)45-30)14-33(34)46-37(36(25)38(2,3)17-18)35-27(42)9-21(10-28(35)43)29-12-19-4-6-23(39)15-31(19)44-29/h4-16,25,36-37,39-43H,17H2,1-3H3.
What are the key properties of 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol?
5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol has a molecular weight of 616.67 g/mol, XLogP of 9.25, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-1-benzofuran-2-yl)-2-[1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]benzene-1,3-diol is sourced from PubChem (CID 131750953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).